Target
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase
Ligand
BDBM50100670
Substrate
n/a
Meas. Tech.
ChEMBL_154419 (CHEMBL758018)
IC50
9500±n/a nM
Citation
 Ukita, TNakamura, YKubo, AYamamoto, YMoritani, YSaruta, KHigashijima, TKotera, JTakagi, MKikkawa, KOmori, K Novel, potent, and selective phosphodiesterase 5 inhibitors: synthesis and biological activities of a series of 4-aryl-1-isoquinolinone derivatives. J Med Chem 44:2204-18 (2001) [PubMed]  Article 
Target
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase
Synonyms:
Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Phosphodiesterase | Phosphodiesterase 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 154419
Components:
This complex has 3 components.
Component 1
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Synonyms:
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Cam-PDE 1C | Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | PDE1C_RAT | Pde1c | Pde1c2
Type:
PROTEIN
Mol. Mass.:
86691.70
Organism:
Rattus norvegicus
Description:
ChEMBL_105015
Residue:
768
Sequence:
MTDTSHKKEGFKKCRSATFSIDGYSFTIVANEAGDKNARPLARFSRSKSQNCLWNSLIDGLTGNVKEKPRPTIVQDTRPPEEILADELPQLDSPEALVKTSFRLRSLVKQLERGEASVVDLKKNLEYAATVLESVYIDETRRLLDTEDELSDIQSDAVPSEVRDWLASTFTRQMGMMLRRSDEKPRFKSIVHAVQAGIFVERMYRRTSNMVGLSYPPAVIDALKDVDTWSFDVFSLNEASGDHALKFIFYELLTRYDLISRFKIPISALVSFVEALEVGYSKHKNPYHNLMHAADVTQTVHYLLYKTGVANWLTELEIFAIIFSAAIHDYEHTGTTNNFHIQTRSDPAILYNDRSVLENHHLSAAYRLLQEDEEMNILVNLSKDDWREFRTLVIEMVMATDMSCHFQQIKAMKTALQQPEAIEKPKALSLMLHTADISHPAKAWDLHHRWTMSLLEEFFRQGDREAELGLPFSPLCDRKSTMVAQSQVGFIDFIVEPTFTVLTDMTEKIVSPLIDETSQTGGTGQRRSSLNSINSSDAKRSGVKSSGSEGSAPINNSVIPVDYKSFKATWTEVVQINRERWRAKVPKEEKAKKEAEEKARLAAEEKQKEMEAKSQAEQGTTSKAEKKTSGETKGQVNGTRTSKGDNPRGKNSKGDKAGEKQQNGDLKDGKNKADKKDHSNTGNESKKADGTKKRSHGSPAPSTSSTSRLTLPVIKPPLRHFKRPAYASSSYAPSVPKKTDDHPVRYKMLDQRIKIKKIQNISHHWNKK
  
Component 2
Name:
Phosphodiesterase
Synonyms:
Pde1a | Phosphodiesterase 1A
Type:
PROTEIN
Mol. Mass.:
61851.57
Organism:
Rattus norvegicus
Description:
ChEMBL_105015
Residue:
542
Sequence:
MGSTDTDIEELENATYKYLIGEQTEKMWQRLKGILRCLVKQLEKGDVNVVDLKKNIEYAASVLEAVYIDETRRLLDTEDELSDIQTDSVPSEVRDWLASTFTRKMGMTKKKPEEKPKFRSIVHAVQAGIFVERMYRKNYHMVGLTYPAAVIVTLKEVDKWSFDVFALNEASGEHSLKFMIYELFTSNDLINRFKIPVSCLIAFAEALEVGYSKHKNPYHNLVHAADVTQTVHYIMLHTGIMHWLTELEILAMVFAAAVHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLMQEEEMNILVNLSKDDWRDLRNLVIETVLATDMSGHFQQIKNIRSSLQQPEGIDRAKTMSLILHAADISHPAKTWKLHYRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGFIDFIVEPTFSLLTDSTEKIVIPLIEEASKPESSNYGASSSSTMIGFHVADALRRSNTKGCMSDGTYAPDYSLSAVDLKSFKNNLVDIIQQNKERWKELAAQGELDLHKNSEDLEEKHADTHP
  
Component 3
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Synonyms:
63 kDa Cam-PDE | Cam-PDE 1B | PDE1B_RAT | Pde1b | Pde1b1 | Phosphodiesterase 1
Type:
PROTEIN
Mol. Mass.:
61248.78
Organism:
Rattus norvegicus
Description:
ChEMBL_105015
Residue:
535
Sequence:
MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLEYTASLLEAVYIDETRQILDTEDELRELRSDAVPSEVRDWLASTFTQQTRAKGRRAEEKPKFRSIVHAVQAGIFVERMFRRTYTAVGPTYSTAVHNCLKNLDVWCFDVFSLNRAADDHALRTIVFELLTRHSLISRFKIPTVFLMSFLEALETGYGKYKNPYHNQIHAADVTQTVHCFLLRTGMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVFRMMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKSKALSLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQIGFIDFIVEPTFSVLTDVAEKSVQPLTDDDSKSKSQPSFQWRQPSLDVDVGDPNPDVVSFRSTWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPSSPAEDEHNQNGNLD
  
Inhibitor
Name:
BDBM50100670
Synonyms:
CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate.dihydrochloride
Type:
Small organic molecule
Emp. Form.:
C32H29N3O7
Mol. Mass.:
567.5886
SMILES:
COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Structure:
Search PDB for entries with ligand similarity: